Molecule

ID:17329

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂O
Molecular Mass
266.76646
Exact Mass
266.11859092
Charge
0
InChI
InChI=1S/C14H19ClN2O/c1-11-3-2-8-17(10-11)13-6-4-12(5-7-13)16-14(18)9-15/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)
InChIKey
XLYILAICUBXNDB-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1)N1CCCC(C1)C
Isomeric Smiles
N1(c2ccc(cc2)NC(=O)CCl)CC(CCC1)C
Calculated Properties
JChem
Acid pKa
14.825621
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.850186
LogD (pH = 7.4)
3.0680583
Log P
3.0716827
Molar Refractivity
76.7164
Polarizability
28.488314
Polar Surface Area
32.34
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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